SCHEMBL5496885

SCHEMBL5496885

CCC(OC(C)=O)C(=O)C(O)[C@@H]1C=C[C@H](n2cnc3c(O)ncnc32)O1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
AHCY P23526 4/20 0.35
HSP90B1 P14625 1/20 0.35
TSHR P16473 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP2C19 P33261 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5494931 0.90 AHCY (0.46) ADORA2AADORA2BAHCYHSP90B1TSHR
SCHEMBL9124151 0.83 ADORA3 (0.36) ADORA2AADORA2BAHCYHSP90B1TSHR
SCHEMBL5496887 0.81 BCHE (0.37) ADORA2AADORA2BAHCYHSP90B1
SCHEMBL5493623 0.73 EHMT1 (0.41) TSHR
SCHEMBL2955999 0.73 BCHE (0.42) ADORA2BAHCYHSP90B1ADORA3
SCHEMBL5494937 0.72 BCHE (0.47) ADORA2AADORA2BAHCYHSP90B1TSHR
SCHEMBL1140703 0.67 EGFR (0.41) ADORA2AADORA2BADORA3ADORA1
SCHEMBL13238881 0.67 EGFR (0.41) ADORA2AADORA2BADORA3ADORA1
SCHEMBL2045673 0.67 EGFR (0.41) ADORA2AADORA2BADORA3ADORA1
SCHEMBL2950104 0.66 EGFR (0.40) ADORA2AADORA2BADORA3ADORA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654270-B1 PROCESS FOR PREPARING 2',3'-DIDEHYDRO-2',3'-DIDEOXYNUCLEOSIDES AND 2',3'-DIDEOXYNUCLEOSIDES ARCHIMICA SRL (IT) 2007-12-26 EP disclosed
US-20060199959-A1 Process for preparing 2',3'-didehydro-2'3'-dideoxynucleosides and 2',3'-dideoxynucleosides ARCHIMICA S.R.L. (IT) 2006-09-07 US disclosed
EP-1654270-A1 PROCESS FOR PREPARING 2',3'-DIDEHYDRO-2',3'-DIDEOXYNUCLEOSIDES AND 2',3'-DIDEOXYNUCLEOSIDES Clariant Life Science Molecules (Italia) S.p.A. (IT) 2006-05-10 EP disclosed
WO-2005012325-A1 PROCESS FOR PREPARING 2',3'-DIDEHYDRO-2',3'-DIDEOXYNUCLEOSIDES AND 2',3'-DIDEOXYNUCLEOSIDES CLARIANT LIFE SCIENCE MOLECULES (ITALIA) S.P.A. (IT) 2005-02-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060199959-A1 Process for preparing 2',3'-didehydro-2'3'-dideoxynucleosides and 2',3'-dideoxynucleosides DOHH, UMPS, DCPS ADORA2A 955/4885ADORA2B 618/4885AHCY 1343/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.